N-[1-(4-chlorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

C25H23ClN2O2 — CID 10251489

IUPACN-[1-(4-chlorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C25H23ClN2O2/c1-17-16-24(28(18(2)29)21-8-4-3-5-9-21)22-10-6-7-11-23(22)27(17)25(30)19-12-14-20(26)15-13-19/h3-15,17,24H,16H2,1-2H3
InChIKeyXBTFKEVZITXNIQ-UHFFFAOYSA-N
MW418.92 g/mol
LogP5.87
Rot. Bonds3

About N-[1-(4-chlorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

N-[1-(4-chlorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (PubChem CID 10251489) has the molecular formula C25H23ClN2O2 and a molecular weight of 418.92 g/mol. Its IUPAC name is N-[1-(4-chlorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[1-(4-chlorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
PubChem CID10251489
Molecular FormulaC25H23ClN2O2
Molecular Weight418.92 g/mol
Exact Mass418.14
IUPAC NameN-[1-(4-chlorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C25H23ClN2O2/c1-17-16-24(28(18(2)29)21-8-4-3-5-9-21)22-10-6-7-11-23(22)27(17)25(30)19-12-14-20(26)15-13-19/h3-15,17,24H,16H2,1-2H3
InChIKeyXBTFKEVZITXNIQ-UHFFFAOYSA-N
XLogP5.87
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.92
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The IUPAC name of N-[1-(4-chlorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (CID 10251489) is N-[1-(4-chlorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.
What is the SMILES notation for N-[1-(4-chlorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The canonical SMILES for N-[1-(4-chlorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is CC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of N-[1-(4-chlorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The InChIKey is XBTFKEVZITXNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O2/c1-17-16-24(28(18(2)29)21-8-4-3-5-9-21)22-10-6-7-11-23(22)27(17)25(30)19-12-14-20(26)15-13-19/h3-15,17,24H,16H2,1-2H3.
What are the key properties of N-[1-(4-chlorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
N-[1-(4-chlorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide has a molecular weight of 418.92 g/mol, XLogP of 5.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 10251489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).